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Chemical ID: 6723522
Chemical ID:
6723522
Name [?]:
1-(1H-pyridin-3-ylsulfonyl)piperidine-4-carboxylate
SMILES [?]:
c1cc(c[nH+]c1)S(=O)(=O)N2CCC(CC2)C(=O)[O-]
InChi [?]:
InChI=1/C11H14N2O4S/c14-11(15)9-3-6-13(7-4-9)18(16,17)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,12,14,6,11,15,4,13,3,16,5,10,17,18,8,9,7/E:(3,4)(6,7)(14,15)(16,17)/CRV:18.6/rA:18nCCCCN+CSOONCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s3;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O4S |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -51.0171 |
Area: | 430.689 |
Solvation: | -61.7843 |
Coulombic: | -9.36561 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 270.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | -0.71 |
LogP (Chemaxon): | -0.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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